3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

C22H26N6O2 — CID 121113756

About 3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 121113756) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
• PubChem CID: 121113756
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: 3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
• SMILES: COc1ccc(CCC(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc1
• InChI: InChI=1S/C22H26N6O2/c1-17-23-11-12-28(17)21-9-8-20(24-25-21)26-13-15-27(16-14-26)22(29)10-5-18-3-6-19(30-2)7-4-18/h3-4,6-9,11-12H,5,10,13-16H2,1-2H3
• InChIKey: LTJQYEWUWHXJOJ-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 76.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?

The IUPAC name of 3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 121113756) is 3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?

The InChIKey is LTJQYEWUWHXJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-17-23-11-12-28(17)21-9-8-20(24-25-21)26-13-15-27(16-14-26)22(29)10-5-18-3-6-19(30-2)7-4-18/h3-4,6-9,11-12H,5,10,13-16H2,1-2H3.

What are the key properties of 3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?

3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 406.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 121113756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).